[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate

C16H20N2O4 — CID 2511135

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-15(11-22-16(20)12-1-2-12)17-13-3-5-14(6-4-13)18-7-9-21-10-8-18/h3-6,12H,1-2,7-11H2,(H,17,19)
InChIKeyJEJFWRZWYNOSLE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.41
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2511135) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2511135
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-15(11-22-16(20)12-1-2-12)17-13-3-5-14(6-4-13)18-7-9-21-10-8-18/h3-6,12H,1-2,7-11H2,(H,17,19)
InChIKeyJEJFWRZWYNOSLE-UHFFFAOYSA-N
XLogP1.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808206
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 26164487
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
CID 16607005
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 46684781
N-cyclohexyl-2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]acetamide
CID 35269451
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 23961153
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2511135) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is JEJFWRZWYNOSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(11-22-16(20)12-1-2-12)17-13-3-5-14(6-4-13)18-7-9-21-10-8-18/h3-6,12H,1-2,7-11H2,(H,17,19).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2511135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).